SCHEMBL20184680

SCHEMBL20184680

CCc1nc(-c2cccc(NC(=O)C=C(C)C)c2)c2c(C(=O)O)c[nH]c2n1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.49
JAK2 O60674 5/20 0.47
JAK1 P23458 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20184575 0.90 JAK3 (0.62) JAK3JAK2JAK1
SCHEMBL20184704 0.90 JAK3 (0.59) JAK3JAK2JAK1
SCHEMBL20184567 0.90 JAK3 (0.58) JAK3JAK2JAK1
SCHEMBL20184521 0.89 JAK3 (0.59) JAK3JAK2JAK1
SCHEMBL20184508 0.89 JAK3 (0.59) JAK3JAK2JAK1
SCHEMBL20184539 0.88 JAK3 (0.51) JAK3JAK2JAK1
SCHEMBL20184542 0.87 JAK3 (0.48) JAK3JAK2JAK1
SCHEMBL20184481 0.86 CYP3A4 (0.48) JAK3JAK2JAK1MEN1KMT2A
SCHEMBL16245166 0.86 JAK3 (0.58) JAK3JAK2JAK1
SCHEMBL20184482 0.85 JAK3 (0.44) JAK3JAK2JAK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788000-B1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-05-30 EP claimed